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1190322-96-3 | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-iodo-
CAS No: 1190322-96-3 Catalog No: AG000I33 MDL No:
Product Description
Catalog Number:
AG000I33
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-iodo-
CAS Number:
1190322-96-3
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
IUPAC Name:
3-iodo-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H5IN2O2/c9-5-3-10-6-1-4(8(12)13)2-11-7(5)6/h1-3,10H,(H,12,13)
InChI Key:
KHACXLWAYAEFBC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)[nH]cc2I
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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